[Pw_forum] newbie update

Carlo Nervi carlo.nervi at unito.it
Sat Mar 7 12:09:53 CET 2009

Axel Kohlmeyer ha scritto:

 > how much memory does your machine have? what else is running on that 

Yes, I'm sure it is a 8 core machine, I have 8 Gb RAM, and nothing else 
was running. I'm the owner and root user of this PC: a dual socket 
quad-core Xeon E5345 @2.33GHz on which I installed Gentoo Linux.
I'm using the stable (Gentoo) mpich2-v1.0.3
However, I discovered that if mpich2 has been compiled with threads 
option (USE="mpe threads" emerge mpich2) I got link error messages while 
compiling QE with ifort.
I guess there are few problems with mpich2. The latest version of mpich2 
(1.0.8) is marked unstable under Gentoo.

I downloaded the most recent ifort/icc/mkl compilers and libraries from 
the Intel site.... but I'm still in doubt whether to install all or to 
keep my gcc-4.1.2 p1.3, ifort 10.0 and mkl 9.1.023.
I think the main problem lies in my poor understandings of makefile 
flags, resulting in linking problems with FFTW3 libraries. Right now I'm 
playing with make.sys and I got:

../Modules/fft_scalar.o: In function 'fft_scalar_mp_cft_b_':
fft_scalar.f90(.text+0xc47): undefined reference to 'dfftw_execute_dft_'

... and many other similar link errors...

For example, I'm still not sure if this is correct:
DFLAGS         =  -D__INTEL -D__FFTW3 -D__MPI -D__PARA
FFT_LIBS       = -L/opt/intel/mkl/9.1.023/lib/em64t -lfftw3xf_intel
MPI_LIBS       = -L/usr/lib64/ -lmpich

Sorry for bothering a lot,

Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy

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